#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3b s TYR 3 N 0.00 3.39 -0.24 -0.14 5.04 -1.26 -4.93 117.35 119.22 1n3b s TYR 3 Ca 0.00 1.33 -0.03 0.00 -2.44 0.00 0.00 57.07 55.93 1n3b s TYR 3 Cb 0.00 -3.47 0.01 0.00 0.35 0.00 0.00 41.96 38.85 1n3b s TYR 3 CO 0.00 -1.41 -0.04 0.42 -1.34 0.00 0.00 175.55 173.19 1n3b s ILE 4 N 0.31 3.23 -0.26 3.14 1.01 -1.26 -1.33 121.20 126.04 1n3b s ILE 4 Ca 0.56 -0.72 -0.07 0.00 0.00 0.00 0.00 60.65 60.42 1n3b s ILE 4 Cb -0.33 -2.55 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 1n3b s ILE 4 CO 0.35 0.30 0.06 -0.69 0.00 0.00 0.00 174.94 174.96 1n3b s VAL 5 N 1.42 4.16 0.05 2.92 1.01 -0.58 -1.16 120.40 128.22 1n3b s VAL 5 Ca 0.03 -0.31 -0.18 0.00 0.00 0.00 0.00 61.98 61.52 1n3b s VAL 5 Cb -0.15 -2.98 -0.06 0.00 0.00 0.00 0.00 36.38 33.18 1n3b s VAL 5 CO -0.03 0.29 0.53 0.00 0.00 0.00 0.00 175.10 175.89 1n3b s ALA 6 N 1.58 3.60 -0.11 5.51 0.00 0.62 -0.47 121.76 132.48 1n3b s ALA 6 Ca 0.06 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.01 1n3b s ALA 6 Cb -0.15 -2.59 -0.01 0.00 0.00 0.00 0.00 23.12 20.37 1n3b s ALA 6 CO 0.03 0.39 -0.18 -1.17 0.00 0.00 0.00 175.76 174.83 1n3b s LEU 7 N -1.00 2.44 0.24 0.00 2.96 0.73 -0.02 118.68 124.02 1n3b s LEU 7 Ca 0.28 -0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 53.72 1n3b s LEU 7 Cb -0.19 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 1n3b s LEU 7 CO 0.17 0.17 0.28 0.28 -1.32 0.00 0.00 176.35 175.93 1n3b s THR 8 N 0.31 0.00 0.00 3.68 -1.32 -0.64 -0.96 115.64 116.71 1n3b s THR 8 Ca -0.14 -1.78 0.00 0.00 -1.21 0.00 0.00 61.69 58.56 1n3b s THR 8 Cb -0.17 -2.42 0.00 0.00 -1.51 0.00 0.00 72.50 68.40 1n3b s THR 8 CO 0.07 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.09 1n3b n GLY 9 N -0.35 1.11 3.94 6.08 0.00 -1.26 -0.95 105.19 113.76 1n3b n GLY 9 Ca 0.01 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 1n3b n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n3b s GLY 10 N 0.00 1.75 0.30 -0.02 0.00 -1.26 -4.85 107.32 103.23 1n3b s GLY 10 Ca 0.00 -1.21 -0.30 0.00 0.00 0.00 0.00 44.72 43.21 1n3b s GLY 10 CO 0.00 -0.55 1.53 -1.50 0.00 0.00 0.00 173.10 172.59 1n3b s ILE 11 N -3.66 2.21 0.00 0.90 2.07 -1.26 -1.91 121.20 119.56 1n3b s ILE 11 Ca 0.70 0.18 0.00 0.00 -1.41 0.00 0.00 60.65 60.12 1n3b s ILE 11 Cb -0.06 -3.12 0.00 0.00 0.13 0.00 0.00 42.46 39.42 1n3b s ILE 11 CO 0.50 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 174.17 1n3b n GLY 12 N 1.85 0.82 0.02 1.50 0.00 -1.26 -4.62 105.19 103.51 1n3b n GLY 12 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 1n3b n GLY 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n3b n SER 13 N 0.00 0.18 -1.87 1.61 3.41 -0.80 -4.44 113.62 111.71 1n3b n SER 13 Ca 0.00 0.52 -0.09 0.00 -0.26 0.00 0.00 58.87 59.04 1n3b n SER 13 Cb 0.00 -0.57 0.03 0.00 -0.26 0.00 0.00 64.21 63.42 1n3b n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n3b n GLY 14 N 1.42 0.26 0.37 5.00 0.00 -1.26 -4.78 105.19 106.19 1n3b n GLY 14 Ca 0.07 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 45.92 1n3b n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n3b h LYS 15 N -1.03 0.81 -0.83 1.61 1.57 -1.92 -2.02 116.57 114.77 1n3b h LYS 15 Ca -0.24 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 1n3b h LYS 15 Cb 1.15 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.24 1n3b h LYS 15 CO 0.23 0.54 0.40 0.77 -0.57 0.00 0.00 179.45 180.82 1n3b h SER 16 N 0.84 1.07 -0.76 0.86 0.02 -1.98 -0.35 113.55 113.25 1n3b h SER 16 Ca 0.49 -0.13 0.07 0.00 -0.84 0.00 0.00 61.79 61.38 1n3b h SER 16 Cb 0.64 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 62.84 1n3b h SER 16 CO -0.25 0.90 0.43 0.74 -1.14 0.00 0.00 176.83 177.51 1n3b h THR 17 N 1.17 0.95 -0.05 -2.27 2.02 -1.75 0.17 112.91 113.16 1n3b h THR 17 Ca 0.28 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 1n3b h THR 17 Cb 0.11 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1n3b h THR 17 CO -0.04 0.14 -0.11 0.58 0.37 0.00 0.00 175.52 176.47 1n3b h VAL 18 N 0.77 1.44 -0.92 3.16 2.07 -1.42 -2.64 116.25 118.70 1n3b h VAL 18 Ca 0.35 -1.46 0.05 0.00 0.82 0.00 0.00 66.70 66.45 1n3b h VAL 18 Cb 0.25 2.30 -0.06 0.00 -1.52 0.00 0.00 31.29 32.26 1n3b h VAL 18 CO -0.21 0.40 0.59 0.00 0.02 0.00 0.00 177.57 178.37 1n3b h ALA 19 N 0.45 1.24 0.00 1.67 0.00 -0.77 -0.76 119.26 121.08 1n3b h ALA 19 Ca -0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1n3b h ALA 19 Cb 0.70 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1n3b h ALA 19 CO 0.02 0.41 -0.32 -0.91 0.00 0.00 0.00 179.25 178.45 1n3b h ASN 20 N 1.12 0.00 -0.40 0.00 2.35 -0.67 -0.55 115.58 117.42 1n3b h ASN 20 Ca 0.38 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.04 1n3b h ASN 20 Cb 0.07 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1n3b h ASN 20 CO -0.14 0.32 -0.07 0.00 -1.65 0.00 0.00 177.43 175.89 1n3b h ALA 21 N 1.68 0.97 -0.14 -0.83 0.00 -0.77 -0.47 119.26 119.71 1n3b h ALA 21 Ca -0.00 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 1n3b h ALA 21 Cb 0.61 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1n3b h ALA 21 CO 0.04 0.61 -0.67 0.74 0.00 0.00 0.00 179.25 179.97 1n3b h PHE 22 N 0.77 0.74 -0.92 0.00 -1.00 -1.00 -3.03 116.94 112.50 1n3b h PHE 22 Ca 0.13 -0.30 0.05 0.00 2.81 0.00 0.00 57.97 60.66 1n3b h PHE 22 Cb 0.57 -0.12 -0.06 0.00 3.61 0.00 0.00 35.95 39.94 1n3b h PHE 22 CO 0.03 1.07 0.59 0.00 -1.61 0.00 0.00 178.31 178.39 1n3b h ALA 23 N 0.85 1.25 0.00 2.45 0.00 -0.77 -0.68 119.26 122.37 1n3b h ALA 23 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1n3b h ALA 23 Cb 1.25 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1n3b h ALA 23 CO 0.13 0.39 -0.05 -0.44 0.00 0.00 0.00 179.25 179.28 1n3b h ASP 24 N 1.10 0.00 -0.43 0.00 3.32 -0.97 -1.26 116.42 118.18 1n3b h ASP 24 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1n3b h ASP 24 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1n3b h ASP 24 CO -0.15 0.05 0.00 0.18 -1.72 0.00 0.00 179.24 177.60 1n3b n LEU 25 N -3.29 2.35 0.00 1.55 4.77 -0.31 -4.91 117.00 117.15 1n3b n LEU 25 Ca -0.01 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 1n3b n LEU 25 Cb 0.22 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1n3b n LEU 25 CO 0.26 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 1n3b n GLY 26 N 1.21 0.79 3.75 -0.72 0.00 -0.48 -5.07 105.19 104.67 1n3b n GLY 26 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1n3b n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n3b s ILE 27 N -2.14 4.85 -0.02 -0.61 -1.09 -0.91 -4.59 121.20 116.69 1n3b s ILE 27 Ca 0.00 1.43 -0.30 0.00 -2.23 0.00 0.00 60.65 59.55 1n3b s ILE 27 Cb 0.00 -4.02 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 1n3b s ILE 27 CO 0.00 0.37 1.19 0.20 -1.23 0.00 0.00 174.94 175.47 1n3b s ASN 28 N 0.00 7.07 -0.23 3.58 0.01 -1.26 -4.11 114.94 120.01 1n3b s ASN 28 Ca 0.35 1.86 -0.10 0.00 -0.71 0.00 0.00 52.86 54.26 1n3b s ASN 28 Cb -0.19 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 38.86 1n3b s ASN 28 CO 0.20 -0.54 0.14 -0.69 -1.51 0.00 0.00 177.10 174.70 1n3b s VAL 29 N 1.86 5.25 -0.30 1.60 1.01 -1.26 -1.95 120.40 126.61 1n3b s VAL 29 Ca 0.56 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.65 1n3b s VAL 29 Cb -0.26 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.72 1n3b s VAL 29 CO 0.24 0.36 0.03 -0.63 0.00 0.00 0.00 175.10 175.10 1n3b s ILE 30 N 0.97 3.36 -0.34 2.22 1.01 0.30 -4.97 121.20 123.74 1n3b s ILE 30 Ca 0.07 -1.09 -0.15 0.00 0.00 0.00 0.00 60.65 59.48 1n3b s ILE 30 Cb -0.13 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 1n3b s ILE 30 CO 0.04 -0.01 0.34 -0.62 0.00 0.00 0.00 174.94 174.68 1n3b s ASP 31 N 1.36 6.16 0.28 3.58 -1.08 -1.26 -0.57 116.67 125.13 1n3b s ASP 31 Ca -0.02 -0.27 0.01 0.00 -0.52 0.00 0.00 52.55 51.76 1n3b s ASP 31 Cb -0.18 -2.19 0.54 0.00 -1.46 0.00 0.00 42.92 39.63 1n3b s ASP 31 CO -0.00 -0.32 1.84 0.00 0.52 0.00 0.00 175.17 177.20 1n3b h ALA 32 N 8.47 1.51 -0.13 3.66 0.00 -1.70 -0.94 119.26 130.12 1n3b h ALA 32 Ca -0.30 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1n3b h ALA 32 Cb 1.15 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1n3b h ALA 32 CO 0.68 0.24 -0.00 -0.44 0.00 0.00 0.00 179.25 179.73 1n3b h ASP 33 N 1.00 0.23 -0.41 0.00 3.32 -1.94 0.00 116.42 118.63 1n3b h ASP 33 Ca 0.49 -0.32 0.06 0.00 0.02 0.00 0.00 57.03 57.29 1n3b h ASP 33 Cb 0.47 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.90 1n3b h ASP 33 CO -0.26 0.50 0.09 0.40 -1.72 0.00 0.00 179.24 178.25 1n3b h ILE 34 N -0.03 0.80 -0.73 0.35 1.08 -1.86 -1.84 117.51 115.28 1n3b h ILE 34 Ca 0.04 -0.08 -0.04 0.00 -0.39 0.00 0.00 64.86 64.39 1n3b h ILE 34 Cb 0.38 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 1n3b h ILE 34 CO 0.01 0.04 0.30 0.40 -0.69 0.00 0.00 178.15 178.21 1n3b h ILE 35 N 0.23 1.24 -0.69 -0.67 2.04 -1.06 -1.01 117.51 117.59 1n3b h ILE 35 Ca 0.20 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 1n3b h ILE 35 Cb 0.23 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1n3b h ILE 35 CO -0.25 0.31 0.39 0.00 0.00 0.00 0.00 178.15 178.60 1n3b h ALA 36 N 1.27 1.39 -0.18 1.87 0.00 -0.21 -1.67 119.26 121.73 1n3b h ALA 36 Ca 0.25 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1n3b h ALA 36 Cb 0.19 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1n3b h ALA 36 CO -0.02 0.51 -0.41 0.00 0.00 0.00 0.00 179.25 179.33 1n3b h ARG 37 N 0.96 0.60 -0.83 0.00 3.08 -0.90 -3.14 114.38 114.15 1n3b h ARG 37 Ca 0.25 -0.40 0.13 0.00 0.07 0.00 0.00 59.98 60.03 1n3b h ARG 37 Cb 0.00 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 1n3b h ARG 37 CO -0.04 1.02 0.54 0.37 -1.07 0.00 0.00 179.97 180.79 1n3b h GLN 38 N 0.26 0.62 0.00 0.04 4.15 -0.65 0.08 115.11 119.61 1n3b h GLN 38 Ca 0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1n3b h GLN 38 Cb 1.02 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.57 1n3b h GLN 38 CO 0.09 0.41 -0.03 0.28 -1.93 0.00 0.00 178.83 177.65 1n3b h VAL 39 N 0.63 0.09 -0.81 2.39 2.07 -1.27 -2.94 116.25 116.42 1n3b h VAL 39 Ca 0.41 -0.44 -0.57 0.00 0.82 0.00 0.00 66.70 66.92 1n3b h VAL 39 Cb 0.67 1.40 -0.42 0.00 -1.52 0.00 0.00 31.29 31.43 1n3b h VAL 39 CO -0.17 0.03 -0.64 1.33 0.02 0.00 0.00 177.57 178.14 1n3b n VAL 40 N -3.16 2.64 -2.48 2.57 0.24 0.00 -4.42 118.33 113.72 1n3b n VAL 40 Ca -0.00 -4.12 -0.23 0.00 -2.04 0.00 0.00 64.34 57.94 1n3b n VAL 40 Cb 0.26 -1.15 0.07 0.00 -1.47 0.00 0.00 33.84 31.55 1n3b n VAL 40 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1n3b s GLU 41 N -3.62 2.14 0.01 7.34 2.02 -1.11 -4.97 118.70 120.50 1n3b s GLU 41 Ca 0.52 -0.72 -0.35 0.00 0.02 0.00 0.00 54.97 54.44 1n3b s GLU 41 Cb 0.42 -2.34 -0.14 0.00 0.10 0.00 0.00 34.13 32.17 1n3b s GLU 41 CO 0.02 -1.12 1.66 -2.30 0.02 0.00 0.00 175.26 173.54 1n3b n PRO 42 N -2.69 1.87 -1.37 0.39 -0.02 -1.26 -1.54 135.00 130.39 1n3b n PRO 42 Ca 0.10 0.68 -0.13 0.00 -2.02 0.00 0.00 63.50 62.13 1n3b n PRO 42 Cb 0.60 -2.44 -0.05 0.00 -0.02 0.00 0.00 33.50 31.58 1n3b n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n3b n GLY 43 N 3.68 1.35 3.80 -1.23 0.00 -1.26 -4.99 105.19 106.54 1n3b n GLY 43 Ca 0.20 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1n3b n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n3b s ALA 44 N -2.45 3.04 0.28 4.61 0.00 -0.59 -4.93 121.76 121.72 1n3b s ALA 44 Ca 0.00 0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.51 1n3b s ALA 44 Cb 0.00 -3.21 0.66 0.00 0.00 0.00 0.00 23.12 20.57 1n3b s ALA 44 CO 0.00 -0.05 1.68 -1.35 0.00 0.00 0.00 175.76 176.04 1n3b h PRO 45 N 2.17 0.30 -0.68 0.00 0.11 -1.90 -0.96 132.00 131.05 1n3b h PRO 45 Ca -0.49 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.71 1n3b h PRO 45 Cb 1.20 -0.07 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 1n3b h PRO 45 CO 0.61 0.20 0.31 0.00 -0.21 0.00 0.00 178.00 178.92 1n3b h ALA 46 N 1.71 0.93 -0.50 -0.75 0.00 -1.90 -1.93 119.26 116.81 1n3b h ALA 46 Ca 0.52 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.45 1n3b h ALA 46 Cb 0.99 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1n3b h ALA 46 CO -0.56 -0.11 0.13 -0.07 0.00 0.00 0.00 179.25 178.63 1n3b h LEU 47 N 0.52 0.76 -1.07 0.00 3.38 -1.46 -2.70 115.31 114.75 1n3b h LEU 47 Ca 0.34 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 58.14 1n3b h LEU 47 Cb 0.40 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1n3b h LEU 47 CO -0.30 0.80 0.62 0.45 0.09 0.00 0.00 178.44 180.10 1n3b h HIS 48 N 0.70 1.14 -3.89 1.13 3.86 -1.18 -3.50 115.15 113.40 1n3b h HIS 48 Ca 0.16 0.03 -0.68 0.00 -1.16 0.00 0.00 60.37 58.71 1n3b h HIS 48 Cb 0.33 -0.38 -0.27 0.00 1.06 0.00 0.00 27.41 28.15 1n3b h HIS 48 CO 0.02 0.61 -0.81 0.00 0.86 0.00 0.00 177.93 178.62 1n3b s ALA 49 N -5.99 2.48 0.01 2.45 0.00 -0.79 -5.13 121.76 114.79 1n3b s ALA 49 Ca -0.12 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 50.80 1n3b s ALA 49 Cb 0.20 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 1n3b s ALA 49 CO 0.81 0.44 0.13 -2.30 0.00 0.00 0.00 175.76 174.84 1n3b n PRO 78 N 2.79 0.00 0.00 0.00 -0.02 -1.26 -4.89 135.00 131.62 1n3b n PRO 78 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1n3b n PRO 78 Cb 0.52 -0.19 0.00 0.00 -0.02 0.00 0.00 33.50 33.82 1n3b n PRO 78 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1n3b n GLU 79 N 0.19 0.00 0.19 -0.52 1.02 -1.26 -4.41 120.64 115.85 1n3b n GLU 79 Ca 0.03 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.30 1n3b n GLU 79 Cb 0.02 0.00 0.46 0.00 -0.02 0.00 0.00 31.44 31.90 1n3b n GLU 79 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1n3b h GLU 80 N 0.00 0.00 -0.32 3.49 4.81 -2.05 0.81 114.58 121.31 1n3b h GLU 80 Ca 0.00 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 1n3b h GLU 80 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1n3b h GLU 80 CO 0.00 0.00 -0.48 0.87 -0.73 0.00 0.00 179.01 178.67 1n3b h LYS 81 N 0.00 0.87 -0.62 1.92 1.57 -1.99 -1.66 116.57 116.66 1n3b h LYS 81 Ca 0.12 -0.51 -0.09 0.00 -1.87 0.00 0.00 60.65 58.31 1n3b h LYS 81 Cb 1.60 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.93 1n3b h LYS 81 CO -0.00 1.15 0.06 -0.91 -0.57 0.00 0.00 179.45 179.17 1n3b h ASN 82 N 0.69 1.03 -0.78 0.86 4.21 0.27 -0.41 115.58 121.45 1n3b h ASN 82 Ca 0.03 -0.28 -0.05 0.00 1.21 0.00 0.00 56.30 57.22 1n3b h ASN 82 Cb 1.07 -0.28 -0.03 0.00 -1.12 0.00 0.00 38.32 37.96 1n3b h ASN 82 CO 0.11 1.06 0.31 -0.50 -1.29 0.00 0.00 177.43 177.12 1n3b h TRP 83 N 0.97 1.20 0.00 1.19 4.06 -1.44 -1.38 115.95 120.55 1n3b h TRP 83 Ca 0.18 -0.09 -0.02 0.00 2.06 0.00 0.00 58.89 61.02 1n3b h TRP 83 Cb 0.50 -0.36 -0.00 0.00 -1.00 0.00 0.00 29.16 28.30 1n3b h TRP 83 CO 0.04 0.91 -0.10 1.25 -3.56 0.00 0.00 178.44 176.98 1n3b h LEU 84 N 1.14 0.00 0.01 -4.49 5.85 -0.77 -3.05 115.31 113.99 1n3b h LEU 84 Ca 0.26 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 1n3b h LEU 84 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1n3b h LEU 84 CO -0.02 0.10 -0.13 0.78 -0.34 0.00 0.00 178.44 178.82 1n3b h ASN 85 N 0.00 0.10 0.00 1.25 2.35 -0.01 -1.63 115.58 117.64 1n3b h ASN 85 Ca -0.00 -0.87 0.00 0.00 -0.55 0.00 0.00 56.30 54.88 1n3b h ASN 85 Cb 0.45 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1n3b h ASN 85 CO 0.01 0.96 0.02 0.00 -1.65 0.00 0.00 177.43 176.77 1n3b n ALA 86 N -2.56 0.96 -0.12 -0.83 0.00 -0.81 -1.16 120.51 116.00 1n3b n ALA 86 Ca -0.10 0.01 -0.23 0.00 0.00 0.00 0.00 53.44 53.12 1n3b n ALA 86 Cb 0.49 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 18.88 1n3b n ALA 86 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1n3b n LEU 87 N -1.51 1.94 0.16 0.00 7.94 -1.18 -4.62 117.00 119.73 1n3b n LEU 87 Ca -0.00 0.36 0.03 0.00 -1.11 0.00 0.00 56.01 55.29 1n3b n LEU 87 Cb 0.02 -0.82 0.19 0.00 0.53 0.00 0.00 43.42 43.34 1n3b n LEU 87 CO 0.00 0.29 0.56 -0.07 -1.11 0.00 0.00 177.39 177.06 1n3b h LEU 88 N -1.00 0.00 0.34 -1.96 3.38 -0.85 -3.32 115.31 111.90 1n3b h LEU 88 Ca -0.46 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1n3b h LEU 88 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1n3b h LEU 88 CO -0.28 0.47 -0.16 0.45 0.09 0.00 0.00 178.44 179.01 1n3b h HIS 89 N 0.00 -0.42 -0.87 1.13 3.86 -1.39 -1.33 115.15 116.12 1n3b h HIS 89 Ca -0.00 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.28 1n3b h HIS 89 Cb 1.15 0.14 -0.07 0.00 1.06 0.00 0.00 27.41 29.68 1n3b h HIS 89 CO 0.00 -0.11 0.52 -1.35 0.86 0.00 0.00 177.93 177.85 1n3b h PRO 90 N -0.74 0.87 -0.49 2.45 0.11 -1.80 0.29 132.00 132.70 1n3b h PRO 90 Ca -0.05 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.95 1n3b h PRO 90 Cb 0.50 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 1n3b h PRO 90 CO 0.08 0.57 0.07 -0.07 -0.21 0.00 0.00 178.00 178.44 1n3b h LEU 91 N 0.89 0.79 -1.10 2.35 3.38 -1.65 -0.01 115.31 119.96 1n3b h LEU 91 Ca 0.41 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1n3b h LEU 91 Cb 0.32 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1n3b h LEU 91 CO -0.23 0.86 0.04 0.40 0.09 0.00 0.00 178.44 179.60 1n3b h ILE 92 N 0.69 1.22 0.18 1.22 2.04 -0.31 -0.72 117.51 121.82 1n3b h ILE 92 Ca 0.15 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 1n3b h ILE 92 Cb 0.41 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1n3b h ILE 92 CO 0.01 0.30 -0.08 -0.61 0.00 0.00 0.00 178.15 177.76 1n3b h GLN 93 N 0.64 -0.23 -0.65 2.37 -0.00 0.05 -1.75 115.11 115.55 1n3b h GLN 93 Ca 0.14 0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 58.77 1n3b h GLN 93 Cb 0.34 0.05 -0.03 0.00 0.00 0.00 0.00 27.48 27.84 1n3b h GLN 93 CO 0.01 -0.01 0.26 -0.56 0.00 0.00 0.00 178.83 178.53 1n3b h GLN 94 N -0.41 0.94 -0.20 1.69 3.07 -0.73 -1.26 115.11 118.21 1n3b h GLN 94 Ca -0.02 -0.15 -0.14 0.00 0.09 0.00 0.00 58.65 58.43 1n3b h GLN 94 Cb 0.32 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 27.72 1n3b h GLN 94 CO 0.04 0.77 -0.41 1.49 0.09 0.00 0.00 178.83 180.80 1n3b h GLU 95 N 0.93 0.63 -0.42 0.06 4.57 -1.11 -0.86 114.58 118.37 1n3b h GLU 95 Ca 0.22 -0.41 -0.00 0.00 -1.18 0.00 0.00 59.36 57.98 1n3b h GLU 95 Cb 0.17 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1n3b h GLU 95 CO -0.02 1.03 0.25 1.15 -1.18 0.00 0.00 179.01 180.24 1n3b h THR 96 N 0.31 1.14 -0.41 0.32 2.02 -1.18 -1.28 112.91 113.83 1n3b h THR 96 Ca 0.00 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 1n3b h THR 96 Cb 1.02 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1n3b h THR 96 CO 0.09 0.15 0.13 -0.61 0.37 0.00 0.00 175.52 175.65 1n3b h GLN 97 N 0.56 0.60 -0.21 6.66 5.75 -1.17 -1.98 115.11 125.32 1n3b h GLN 97 Ca 0.15 -0.09 -0.06 0.00 -0.15 0.00 0.00 58.65 58.50 1n3b h GLN 97 Cb 0.02 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 1n3b h GLN 97 CO -0.03 0.53 -0.12 1.25 -2.65 0.00 0.00 178.83 177.81 1n3b h HIS 98 N 0.59 0.53 -0.14 3.99 2.76 -0.57 -2.66 115.15 119.65 1n3b h HIS 98 Ca 0.14 -0.14 -0.06 0.00 -2.20 0.00 0.00 60.37 58.12 1n3b h HIS 98 Cb 0.18 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 1n3b h HIS 98 CO 0.01 0.75 -0.17 1.96 -1.30 0.00 0.00 177.93 179.19 1n3b h GLN 99 N 0.15 0.23 -0.21 5.26 4.20 -1.00 -2.53 115.11 121.22 1n3b h GLN 99 Ca 0.04 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 1n3b h GLN 99 Cb 0.63 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1n3b h GLN 99 CO 0.03 0.40 -0.44 0.82 -0.67 0.00 0.00 178.83 178.98 1n3b h ILE 100 N 0.22 1.31 0.00 2.54 2.04 -1.27 -2.27 117.51 120.07 1n3b h ILE 100 Ca 0.04 -1.63 -0.11 0.00 1.00 0.00 0.00 64.86 64.16 1n3b h ILE 100 Cb 0.43 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1n3b h ILE 100 CO 0.03 0.51 -0.51 0.06 0.00 0.00 0.00 178.15 178.23 1n3b h GLN 101 N 0.42 0.00 -0.00 2.37 3.07 -1.25 -3.13 115.11 116.58 1n3b h GLN 101 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.77 1n3b h GLN 101 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.50 1n3b h GLN 101 CO 0.08 0.51 -0.41 0.00 0.09 0.00 0.00 178.83 179.10 1n3b n GLN 102 N -3.35 0.43 -1.97 0.06 10.64 -0.97 -4.90 117.38 117.32 1n3b n GLN 102 Ca 0.01 -0.26 -0.37 0.00 -1.83 0.00 0.00 57.00 54.55 1n3b n GLN 102 Cb 0.68 -1.49 0.03 0.00 -0.86 0.00 0.00 30.24 28.59 1n3b n GLN 102 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1n3b s ALA 103 N -2.75 2.68 -1.08 2.61 0.00 -0.86 -4.95 121.76 117.41 1n3b s ALA 103 Ca 0.17 1.11 0.13 0.00 0.00 0.00 0.00 51.96 53.37 1n3b s ALA 103 Cb 0.18 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1n3b s ALA 103 CO 0.62 -1.17 0.70 0.25 0.00 0.00 0.00 175.76 176.16 1n3b n THR 104 N -1.26 0.00 -2.25 0.00 -2.24 -1.26 -5.02 114.28 102.25 1n3b n THR 104 Ca 0.12 -0.34 -0.31 0.00 -2.27 0.00 0.00 64.05 61.25 1n3b n THR 104 Cb 0.48 1.13 -0.02 0.00 -2.10 0.00 0.00 70.33 69.82 1n3b n THR 104 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1n3b s SER 105 N -1.71 6.47 0.29 3.42 1.04 -1.26 -4.96 113.70 116.98 1n3b s SER 105 Ca 0.10 1.47 0.03 0.00 0.48 0.00 0.00 55.95 58.03 1n3b s SER 105 Cb 0.10 -2.48 0.63 0.00 0.10 0.00 0.00 66.02 64.38 1n3b s SER 105 CO 0.36 -0.67 1.81 -0.65 0.98 0.00 0.00 173.24 175.06 1n3b h PRO 106 N 0.49 0.87 -4.49 4.02 0.11 -1.95 -3.43 132.00 127.62 1n3b h PRO 106 Ca -0.46 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 65.40 1n3b h PRO 106 Cb 1.19 -0.20 -0.15 0.00 0.11 0.00 0.00 31.00 31.95 1n3b h PRO 106 CO 0.62 0.57 -0.65 1.52 -0.21 0.00 0.00 178.00 179.85 1n3b s TYR 107 N -5.92 0.91 0.21 0.65 -0.85 -1.26 -4.08 117.35 107.02 1n3b s TYR 107 Ca -0.12 -1.19 0.11 0.00 -0.52 0.00 0.00 57.07 55.36 1n3b s TYR 107 Cb 0.23 -0.52 -0.05 0.00 0.38 0.00 0.00 41.96 42.01 1n3b s TYR 107 CO 0.81 -0.45 -0.19 0.14 -1.52 0.00 0.00 175.55 174.33 1n3b s VAL 108 N -3.97 2.59 -0.31 -3.49 -7.23 -0.44 -4.30 120.40 103.25 1n3b s VAL 108 Ca 0.23 -2.05 -0.05 0.00 -1.81 0.00 0.00 61.98 58.31 1n3b s VAL 108 Cb 0.07 -2.28 0.03 0.00 0.56 0.00 0.00 36.38 34.76 1n3b s VAL 108 CO 0.02 -0.19 0.05 -0.22 -0.31 0.00 0.00 175.10 174.45 1n3b s LEU 109 N -2.94 3.99 -0.44 1.32 2.96 -0.82 -1.52 118.68 121.22 1n3b s LEU 109 Ca 0.24 -1.06 -0.15 0.00 -0.22 0.00 0.00 54.13 52.93 1n3b s LEU 109 Cb -0.07 -1.81 0.04 0.00 0.50 0.00 0.00 46.19 44.85 1n3b s LEU 109 CO 0.12 -0.26 0.36 0.86 -1.32 0.00 0.00 176.35 176.11 1n3b s TRP 110 N 1.37 3.23 -0.41 5.38 -0.00 0.37 -0.54 118.94 128.36 1n3b s TRP 110 Ca -0.02 -0.72 -0.24 0.00 -0.00 0.00 0.00 56.10 55.12 1n3b s TRP 110 Cb -0.19 -2.88 0.02 0.00 -0.00 0.00 0.00 33.47 30.42 1n3b s TRP 110 CO 0.01 -0.70 0.85 0.08 -0.00 0.00 0.00 176.95 177.20 1n3b s VAL 111 N 1.71 4.62 -0.37 5.86 1.01 0.26 -0.19 120.40 133.30 1n3b s VAL 111 Ca 0.05 0.84 0.01 0.00 0.00 0.00 0.00 61.98 62.88 1n3b s VAL 111 Cb -0.21 -4.32 0.11 0.00 0.00 0.00 0.00 36.38 31.96 1n3b s VAL 111 CO 0.09 -0.61 0.14 -0.69 0.00 0.00 0.00 175.10 174.02 1n3b s VAL 112 N 3.39 1.44 0.30 2.92 1.01 -0.14 -1.66 120.40 127.66 1n3b s VAL 112 Ca 0.34 -2.06 0.05 0.00 0.00 0.00 0.00 61.98 60.31 1n3b s VAL 112 Cb -0.12 -2.05 0.29 0.00 0.00 0.00 0.00 36.38 34.50 1n3b s VAL 112 CO 0.21 -0.73 1.76 -0.65 0.00 0.00 0.00 175.10 175.68 1n3b h PRO 113 N 7.49 0.66 -0.86 2.72 0.11 -1.89 -1.69 132.00 138.54 1n3b h PRO 113 Ca -0.08 -0.04 -0.32 0.00 0.11 0.00 0.00 66.00 65.68 1n3b h PRO 113 Cb 0.98 -0.15 -0.19 0.00 0.11 0.00 0.00 31.00 31.75 1n3b h PRO 113 CO 0.50 0.43 0.41 1.28 -0.21 0.00 0.00 178.00 180.41 1n3b n LEU 114 N -4.83 6.23 -0.21 2.35 4.77 -1.26 -4.57 117.00 119.47 1n3b n LEU 114 Ca 0.23 -3.27 0.01 0.00 -0.03 0.00 0.00 56.01 52.94 1n3b n LEU 114 Cb 0.58 -0.77 0.09 0.00 -2.33 0.00 0.00 43.42 40.98 1n3b n LEU 114 CO 0.20 0.88 0.80 0.25 -1.33 0.00 0.00 177.39 178.18 1n3b h LEU 115 N 2.02 -0.39 -0.04 2.23 5.85 -1.67 0.20 115.31 123.50 1n3b h LEU 115 Ca 0.39 0.17 -0.07 0.00 0.84 0.00 0.00 57.88 59.21 1n3b h LEU 115 Cb 2.49 0.32 0.00 0.00 0.37 0.00 0.00 40.66 43.84 1n3b h LEU 115 CO 0.85 -0.15 -0.26 0.58 -0.34 0.00 0.00 178.44 179.12 1n3b h VAL 116 N 0.07 1.46 -0.67 1.05 2.07 -1.86 -0.67 116.25 117.70 1n3b h VAL 116 Ca 0.32 -1.74 0.09 0.00 0.82 0.00 0.00 66.70 66.19 1n3b h VAL 116 Cb 0.51 2.46 -0.07 0.00 -1.52 0.00 0.00 31.29 32.67 1n3b h VAL 116 CO -0.58 0.49 0.31 -0.33 0.02 0.00 0.00 177.57 177.48 1n3b h GLU 117 N -0.30 0.51 -0.62 1.57 3.07 -1.83 -2.25 114.58 114.73 1n3b h GLU 117 Ca -0.02 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1n3b h GLU 117 Cb 0.93 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 1n3b h GLU 117 CO 0.05 0.34 0.00 0.09 -1.40 0.00 0.00 179.01 178.09 1n3b n ASN 118 N -4.91 3.39 -2.34 1.42 3.02 0.03 -4.94 115.26 110.93 1n3b n ASN 118 Ca 0.10 -2.03 -0.15 0.00 -0.03 0.00 0.00 54.58 52.47 1n3b n ASN 118 Cb 0.27 -0.43 -0.01 0.00 -0.61 0.00 0.00 39.78 39.00 1n3b n ASN 118 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1n3b n SER 119 N 1.29 -4.49 0.00 6.41 7.64 -0.79 -4.83 113.62 118.85 1n3b n SER 119 Ca 0.21 0.15 0.10 0.00 1.01 0.00 0.00 58.87 60.34 1n3b n SER 119 Cb 0.54 -3.81 0.47 0.00 -1.01 0.00 0.00 64.21 60.40 1n3b n SER 119 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1n3b n LEU 120 N -2.79 0.00 0.28 -3.43 4.77 -0.33 -2.53 117.00 112.97 1n3b n LEU 120 Ca -0.18 0.36 0.19 0.00 -0.03 0.00 0.00 56.01 56.35 1n3b n LEU 120 Cb 0.62 -0.36 0.89 0.00 -2.33 0.00 0.00 43.42 42.24 1n3b n LEU 120 CO 0.21 -0.12 1.05 0.10 -1.33 0.00 0.00 177.39 177.30 1n3b h TYR 121 N 0.00 0.00 0.00 -1.77 -0.00 -1.88 -0.85 116.97 112.47 1n3b h TYR 121 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1n3b h TYR 121 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.97 1n3b h TYR 121 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.79 1n3b n LYS 122 N -2.94 0.10 -0.06 0.10 5.02 -1.05 -1.71 118.16 117.62 1n3b n LYS 122 Ca -0.01 0.39 0.10 0.00 -2.02 0.00 0.00 58.31 56.78 1n3b n LYS 122 Cb 0.18 -1.71 0.12 0.00 -0.02 0.00 0.00 35.03 33.60 1n3b n LYS 122 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1n3b n LYS 123 N -1.90 1.98 -4.10 1.97 4.76 -0.32 -4.98 118.16 115.57 1n3b n LYS 123 Ca 0.02 -1.85 -0.31 0.00 -2.87 0.00 0.00 58.31 53.29 1n3b n LYS 123 Cb 0.16 -1.41 -0.07 0.00 -1.84 0.00 0.00 35.03 31.88 1n3b n LYS 123 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n3b s ALA 124 N -1.56 3.53 -0.02 7.82 0.00 -0.69 -4.97 121.76 125.87 1n3b s ALA 124 Ca 0.27 -0.97 0.11 0.00 0.00 0.00 0.00 51.96 51.38 1n3b s ALA 124 Cb 0.18 -1.46 -0.13 0.00 0.00 0.00 0.00 23.12 21.71 1n3b s ALA 124 CO 0.26 0.72 1.16 -0.91 0.00 0.00 0.00 175.76 176.99 1n3b h ASN 125 N 3.66 0.00 -4.62 0.00 2.35 -1.44 -3.47 115.58 112.06 1n3b h ASN 125 Ca -0.48 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.12 1n3b h ASN 125 Cb 1.17 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 39.32 1n3b h ASN 125 CO 0.64 0.81 -0.46 -0.60 -1.65 0.00 0.00 177.43 176.16 1n3b s ARG 126 N -2.79 0.43 -0.14 0.81 6.06 -0.85 -5.02 118.95 117.44 1n3b s ARG 126 Ca 0.00 -0.17 0.01 0.00 -2.50 0.00 0.00 55.73 53.07 1n3b s ARG 126 Cb 0.09 0.19 0.02 0.00 0.06 0.00 0.00 34.95 35.30 1n3b s ARG 126 CO 0.80 -0.10 -0.15 0.08 -2.50 0.00 0.00 175.30 173.43 1n3b s VAL 127 N -0.93 1.63 -0.19 7.11 1.01 -1.26 -0.28 120.40 127.49 1n3b s VAL 127 Ca -0.10 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1n3b s VAL 127 Cb -0.05 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1n3b s VAL 127 CO 0.01 0.47 -0.04 -0.22 0.00 0.00 0.00 175.10 175.32 1n3b s LEU 128 N 1.35 3.08 -0.19 3.92 2.96 0.98 -0.26 118.68 130.51 1n3b s LEU 128 Ca 0.02 -0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 53.64 1n3b s LEU 128 Cb -0.13 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 1n3b s LEU 128 CO -0.09 0.08 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.29 1n3b s VAL 129 N 0.89 3.55 -0.40 1.68 1.01 -0.31 -1.62 120.40 125.20 1n3b s VAL 129 Ca -0.00 -0.45 -0.25 0.00 0.00 0.00 0.00 61.98 61.28 1n3b s VAL 129 Cb -0.15 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.66 1n3b s VAL 129 CO 0.01 0.45 0.89 -0.69 0.00 0.00 0.00 175.10 175.76 1n3b s VAL 130 N 1.05 4.58 -0.07 2.92 1.01 -0.12 -1.13 120.40 128.64 1n3b s VAL 130 Ca 0.01 0.96 -0.02 0.00 0.00 0.00 0.00 61.98 62.93 1n3b s VAL 130 Cb -0.15 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 1n3b s VAL 130 CO 0.00 -0.62 0.02 -0.62 0.00 0.00 0.00 175.10 173.89 1n3b s ASP 131 N 2.00 5.34 0.19 3.32 -1.08 0.58 -4.47 116.67 122.55 1n3b s ASP 131 Ca 0.36 0.15 -0.09 0.00 -0.52 0.00 0.00 52.55 52.45 1n3b s ASP 131 Cb -0.12 -1.51 -0.01 0.00 -1.46 0.00 0.00 42.92 39.82 1n3b s ASP 131 CO 0.21 0.36 0.33 0.68 0.52 0.00 0.00 175.17 177.27 1n3b s VAL 132 N -0.95 0.04 0.56 1.11 -7.23 -1.26 -0.71 120.40 111.96 1n3b s VAL 132 Ca 0.15 -1.45 -0.15 0.00 -1.81 0.00 0.00 61.98 58.72 1n3b s VAL 132 Cb -0.11 -2.03 -0.06 0.00 0.56 0.00 0.00 36.38 34.74 1n3b s VAL 132 CO 0.04 -0.16 1.01 -0.94 -0.31 0.00 0.00 175.10 174.74 1n3b s SER 133 N -3.01 6.33 0.41 4.85 1.04 -1.26 -4.92 113.70 117.14 1n3b s SER 133 Ca 0.21 1.58 0.08 0.00 0.48 0.00 0.00 55.95 58.30 1n3b s SER 133 Cb 0.02 -2.50 0.86 0.00 0.10 0.00 0.00 66.02 64.50 1n3b s SER 133 CO 0.04 -0.79 2.03 -0.65 0.98 0.00 0.00 173.24 174.85 1n3b h PRO 134 N 0.47 0.46 -0.50 4.02 0.11 -2.00 -1.53 132.00 133.03 1n3b h PRO 134 Ca -0.46 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.68 1n3b h PRO 134 Cb 1.19 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 1n3b h PRO 134 CO 0.61 0.35 0.17 1.49 -0.21 0.00 0.00 178.00 180.41 1n3b h GLU 135 N 0.47 0.33 -0.74 1.05 4.81 -1.99 -0.16 114.58 118.35 1n3b h GLU 135 Ca 0.12 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1n3b h GLU 135 Cb 0.03 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1n3b h GLU 135 CO -0.02 0.22 0.24 1.15 -0.73 0.00 0.00 179.01 179.87 1n3b h THR 136 N 0.34 1.26 -0.51 0.32 2.02 -1.66 -0.21 112.91 114.47 1n3b h THR 136 Ca 0.24 -0.89 0.03 0.00 0.77 0.00 0.00 66.41 66.57 1n3b h THR 136 Cb 0.27 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1n3b h THR 136 CO -0.26 0.35 0.29 1.56 0.37 0.00 0.00 175.52 177.83 1n3b h GLN 137 N 1.09 0.55 0.51 6.66 4.20 -0.70 -0.62 115.11 126.80 1n3b h GLN 137 Ca 0.24 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 1n3b h GLN 137 Cb 0.29 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1n3b h GLN 137 CO -0.01 0.37 -0.24 -0.07 -0.67 0.00 0.00 178.83 178.20 1n3b h LEU 138 N 0.57 -0.58 -0.47 1.46 3.38 -0.70 -2.34 115.31 116.64 1n3b h LEU 138 Ca 0.21 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.19 1n3b h LEU 138 Cb 0.06 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1n3b h LEU 138 CO -0.12 -0.26 0.17 0.11 0.09 0.00 0.00 178.44 178.43 1n3b h LYS 139 N -0.91 0.33 -0.34 1.13 1.57 -0.91 -3.06 116.57 114.39 1n3b h LYS 139 Ca -0.07 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 1n3b h LYS 139 Cb 0.60 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1n3b h LYS 139 CO 0.11 0.22 -0.18 0.00 -0.57 0.00 0.00 179.45 179.03 1n3b h ARG 140 N 0.34 0.72 -1.30 3.15 3.08 -1.18 -1.90 114.38 117.29 1n3b h ARG 140 Ca 0.22 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1n3b h ARG 140 Cb 0.23 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1n3b h ARG 140 CO -0.23 0.93 0.00 2.41 -1.07 0.00 0.00 179.97 182.01 1n3b n THR 141 N -4.32 0.27 0.00 2.04 -1.04 -0.88 -0.34 114.28 110.01 1n3b n THR 141 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1n3b n THR 141 Cb 0.41 -0.55 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 1n3b n THR 141 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1n3b n GLN 143 N 0.69 0.00 -0.29 -2.82 0.00 -0.72 -1.26 117.38 112.98 1n3b n GLN 143 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.00 57.07 1n3b n GLN 143 Cb 0.16 0.00 0.23 0.00 0.00 0.00 0.00 30.24 30.62 1n3b n GLN 143 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 1n3b h ARG 144 N 0.00 0.54 -0.25 3.69 2.43 -0.95 -2.43 114.38 117.42 1n3b h ARG 144 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1n3b h ARG 144 Cb 0.00 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1n3b h ARG 144 CO 0.00 0.36 0.00 -0.25 -1.51 0.00 0.00 179.97 178.57 1n3b n ASP 145 N -4.92 3.05 -3.67 -3.80 8.00 -0.39 -5.01 116.55 109.81 1n3b n ASP 145 Ca 0.17 -1.90 -0.22 0.00 0.71 0.00 0.00 54.79 53.55 1n3b n ASP 145 Cb 0.46 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1n3b n ASP 145 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1n3b n ASP 146 N 1.20 -5.30 -4.17 -2.24 -0.08 -0.92 -4.99 116.55 100.06 1n3b n ASP 146 Ca 0.15 -0.78 -0.11 0.00 -1.51 0.00 0.00 54.79 52.54 1n3b n ASP 146 Cb 0.53 -2.16 -0.10 0.00 2.34 0.00 0.00 41.12 41.73 1n3b n ASP 146 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1n3b s VAL 147 N -2.86 0.03 0.71 5.18 1.01 -1.26 -5.04 120.40 118.17 1n3b s VAL 147 Ca 0.03 -1.92 -0.14 0.00 0.00 0.00 0.00 61.98 59.96 1n3b s VAL 147 Cb -0.00 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 34.07 1n3b s VAL 147 CO 0.88 -0.14 1.12 0.28 0.00 0.00 0.00 175.10 177.24 1n3b s THR 148 N -4.11 3.04 0.30 3.92 -1.32 -1.26 -4.79 115.64 111.42 1n3b s THR 148 Ca 0.33 0.44 0.14 0.00 -1.21 0.00 0.00 61.69 61.40 1n3b s THR 148 Cb 0.07 -2.93 0.07 0.00 -1.51 0.00 0.00 72.50 68.20 1n3b s THR 148 CO 0.09 -0.34 1.75 -0.09 -2.21 0.00 0.00 174.62 173.82 1n3b h ARG 149 N -0.40 0.00 0.00 7.08 2.43 -2.00 -2.44 114.38 119.05 1n3b h ARG 149 Ca -0.46 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.64 1n3b h ARG 149 Cb 1.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1n3b h ARG 149 CO 0.52 0.44 -0.34 0.93 -1.51 0.00 0.00 179.97 180.01 1n3b h GLU 150 N 0.00 0.00 -0.06 0.20 3.07 -1.99 -2.66 114.58 113.14 1n3b h GLU 150 Ca -0.00 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.67 1n3b h GLU 150 Cb 0.83 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.75 1n3b h GLU 150 CO 0.06 0.34 -0.67 1.25 -1.40 0.00 0.00 179.01 178.58 1n3b h HIS 151 N 0.00 0.80 -0.12 4.33 2.76 -1.82 -2.87 115.15 118.23 1n3b h HIS 151 Ca -0.00 -0.39 -0.15 0.00 -2.20 0.00 0.00 60.37 57.62 1n3b h HIS 151 Cb 1.12 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.96 1n3b h HIS 151 CO 0.00 1.20 -0.58 0.28 -1.30 0.00 0.00 177.93 177.53 1n3b h VAL 152 N 0.18 1.35 -0.04 5.26 2.07 -1.52 -2.60 116.25 120.96 1n3b h VAL 152 Ca -0.07 -1.88 -0.04 0.00 0.82 0.00 0.00 66.70 65.54 1n3b h VAL 152 Cb 1.34 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 1n3b h VAL 152 CO 0.14 0.57 -0.14 -0.33 0.02 0.00 0.00 177.57 177.82 1n3b h GLU 153 N 0.30 0.06 -0.47 1.57 5.08 -1.51 0.77 114.58 120.37 1n3b h GLU 153 Ca -0.00 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1n3b h GLU 153 Cb 1.10 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1n3b h GLU 153 CO 0.10 0.20 0.04 1.96 -1.00 0.00 0.00 179.01 180.31 1n3b h GLN 154 N 0.06 0.81 -0.57 2.33 1.08 -1.23 -0.74 115.11 116.84 1n3b h GLN 154 Ca 0.01 -0.24 -0.06 0.00 -1.45 0.00 0.00 58.65 56.92 1n3b h GLN 154 Cb 0.29 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1n3b h GLN 154 CO 0.02 0.84 0.13 0.82 -0.95 0.00 0.00 178.83 179.69 1n3b h ILE 155 N 0.67 1.25 0.00 2.54 2.04 -1.02 -1.78 117.51 121.21 1n3b h ILE 155 Ca 0.14 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 1n3b h ILE 155 Cb 0.45 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1n3b h ILE 155 CO 0.02 0.33 -0.18 -0.07 0.00 0.00 0.00 178.15 178.25 1n3b h LEU 156 N 0.82 0.00 -0.69 1.44 3.38 -0.70 -0.84 115.31 118.72 1n3b h LEU 156 Ca 0.18 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 1n3b h LEU 156 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1n3b h LEU 156 CO 0.00 0.18 -0.41 0.00 0.09 0.00 0.00 178.44 178.30 1n3b h ALA 157 N 1.82 0.90 0.00 1.53 0.00 -0.32 -3.22 119.26 119.96 1n3b h ALA 157 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1n3b h ALA 157 Cb 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1n3b h ALA 157 CO 0.02 0.52 -0.73 0.00 0.00 0.00 0.00 179.25 179.06 1n3b n ALA 158 N -2.27 3.47 -2.47 0.00 0.00 -0.38 -4.93 120.51 113.92 1n3b n ALA 158 Ca 0.00 -0.37 -0.20 0.00 0.00 0.00 0.00 53.44 52.88 1n3b n ALA 158 Cb 0.57 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 1n3b n ALA 158 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1n3b s GLN 159 N -3.10 2.88 0.88 0.00 -0.21 -0.82 -5.08 119.66 114.21 1n3b s GLN 159 Ca 0.07 -1.19 -0.11 0.00 0.02 0.00 0.00 55.36 54.15 1n3b s GLN 159 Cb 0.16 -2.62 0.12 0.00 1.00 0.00 0.00 33.01 31.66 1n3b s GLN 159 CO 0.75 0.06 1.11 0.00 -2.12 0.00 0.00 175.29 175.09 1n3b n ALA 160 N -1.50 -0.67 -1.92 6.09 0.00 -1.26 -4.94 120.51 116.31 1n3b n ALA 160 Ca -0.01 -0.48 -0.29 0.00 0.00 0.00 0.00 53.44 52.66 1n3b n ALA 160 Cb 0.59 -2.18 0.05 0.00 0.00 0.00 0.00 19.45 17.91 1n3b n ALA 160 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1n3b s THR 161 N -2.43 3.25 0.17 0.00 -4.23 -1.26 -4.92 115.64 106.22 1n3b s THR 161 Ca 0.69 0.32 -0.14 0.00 -1.18 0.00 0.00 61.69 61.37 1n3b s THR 161 Cb -0.25 -3.39 0.06 0.00 1.34 0.00 0.00 72.50 70.26 1n3b s THR 161 CO 0.56 -0.49 1.77 -0.09 -0.54 0.00 0.00 174.62 175.83 1n3b h ARG 162 N -0.64 0.39 -0.07 3.99 2.43 -1.97 -2.01 114.38 116.50 1n3b h ARG 162 Ca -0.45 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 58.63 1n3b h ARG 162 Cb 1.27 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1n3b h ARG 162 CO 0.64 0.26 -0.28 0.93 -1.51 0.00 0.00 179.97 180.01 1n3b h GLU 163 N 0.40 0.12 -0.24 0.20 3.07 -1.99 -1.56 114.58 114.59 1n3b h GLU 163 Ca 0.21 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.92 1n3b h GLU 163 Cb 0.16 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1n3b h GLU 163 CO -0.18 0.39 -0.33 0.00 -1.40 0.00 0.00 179.01 177.50 1n3b h ALA 164 N 1.61 0.98 -0.25 3.43 0.00 -1.76 -1.18 119.26 122.10 1n3b h ALA 164 Ca 0.02 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.35 1n3b h ALA 164 Cb 0.56 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1n3b h ALA 164 CO 0.04 0.60 -0.54 0.00 0.00 0.00 0.00 179.25 179.35 1n3b h ARG 165 N 0.43 0.80 -0.22 0.00 3.08 -0.89 -3.10 114.38 114.49 1n3b h ARG 165 Ca 0.05 -0.54 -0.04 0.00 0.07 0.00 0.00 59.98 59.53 1n3b h ARG 165 Cb 0.79 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 1n3b h ARG 165 CO 0.06 1.16 -0.04 -0.07 -1.07 0.00 0.00 179.97 180.02 1n3b h LEU 166 N 0.56 0.30 -2.08 3.04 3.38 -1.08 -2.40 115.31 117.02 1n3b h LEU 166 Ca 0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1n3b h LEU 166 Cb 1.16 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1n3b h LEU 166 CO 0.12 0.39 -0.08 0.00 0.09 0.00 0.00 178.44 178.96 1n3b h ALA 167 N 1.65 1.48 -0.02 1.53 0.00 -1.14 -2.60 119.26 120.17 1n3b h ALA 167 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n3b h ALA 167 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1n3b h ALA 167 CO 0.01 0.10 0.00 1.33 0.00 0.00 0.00 179.25 180.69 1n3b n VAL 168 N -3.88 0.01 -2.44 0.00 0.24 -0.94 -5.01 118.33 106.31 1n3b n VAL 168 Ca -0.02 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.34 61.37 1n3b n VAL 168 Cb 0.17 1.29 -0.04 0.00 -1.47 0.00 0.00 33.84 33.79 1n3b n VAL 168 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1n3b s ALA 169 N -1.20 3.41 -0.17 2.33 0.00 -0.98 -4.76 121.76 120.40 1n3b s ALA 169 Ca 0.17 0.92 -0.03 0.00 0.00 0.00 0.00 51.96 53.02 1n3b s ALA 169 Cb 0.12 -3.35 -0.23 0.00 0.00 0.00 0.00 23.12 19.66 1n3b s ALA 169 CO 0.18 -0.23 0.17 -0.25 0.00 0.00 0.00 175.76 175.63 1n3b n ASP 170 N 1.51 2.04 -4.21 0.00 8.00 0.64 -4.95 116.55 119.58 1n3b n ASP 170 Ca 0.00 0.09 -0.20 0.00 0.71 0.00 0.00 54.79 55.39 1n3b n ASP 170 Cb 0.45 -0.68 -0.12 0.00 -0.02 0.00 0.00 41.12 40.74 1n3b n ASP 170 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1n3b s ASP 171 N -6.84 1.98 -0.04 -2.24 1.01 -0.51 -5.01 116.67 105.03 1n3b s ASP 171 Ca -0.26 -0.63 0.02 0.00 0.71 0.00 0.00 52.55 52.39 1n3b s ASP 171 Cb 0.07 -0.08 0.01 0.00 1.01 0.00 0.00 42.92 43.93 1n3b s ASP 171 CO 0.71 -0.02 -0.10 -0.69 0.21 0.00 0.00 175.17 175.28 1n3b s VAL 172 N -1.21 0.88 -0.13 -1.27 1.01 -1.26 -1.17 120.40 117.24 1n3b s VAL 172 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1n3b s VAL 172 Cb -0.10 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.51 1n3b s VAL 172 CO 0.03 0.28 -0.12 -0.51 0.00 0.00 0.00 175.10 174.77 1n3b s ILE 173 N 0.32 1.39 0.02 2.22 2.07 -0.28 -4.96 121.20 121.99 1n3b s ILE 173 Ca -0.06 -0.53 -0.30 0.00 -1.41 0.00 0.00 60.65 58.35 1n3b s ILE 173 Cb -0.11 -1.33 -0.06 0.00 0.13 0.00 0.00 42.46 41.10 1n3b s ILE 173 CO 0.01 0.43 1.33 -0.62 -1.91 0.00 0.00 174.94 174.18 1n3b s ASP 174 N 1.46 6.92 -0.24 4.50 -1.08 -1.26 -0.31 116.67 126.66 1n3b s ASP 174 Ca 0.03 2.09 0.15 0.00 -0.52 0.00 0.00 52.55 54.29 1n3b s ASP 174 Cb -0.13 -2.57 0.47 0.00 -1.46 0.00 0.00 42.92 39.23 1n3b s ASP 174 CO -0.08 -0.64 1.17 -3.20 0.52 0.00 0.00 175.17 172.93 1n3b n ASN 175 N 4.81 2.96 0.15 -0.34 4.05 0.11 -4.79 115.26 122.22 1n3b n ASN 175 Ca 0.12 -3.05 0.00 0.00 0.45 0.00 0.00 54.58 52.10 1n3b n ASN 175 Cb 0.44 -0.41 0.21 0.00 1.23 0.00 0.00 39.78 41.26 1n3b n ASN 175 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 177.26 174.99 1n3b h ASN 176 N 2.00 0.00 0.00 1.20 2.35 -1.91 -3.47 115.58 115.75 1n3b h ASN 176 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1n3b h ASN 176 Cb 1.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.78 1n3b h ASN 176 CO 0.39 0.56 0.00 0.61 -1.65 0.00 0.00 177.43 177.34 1n3b n GLY 177 N 0.18 1.72 3.83 2.83 0.00 -1.26 -5.06 105.19 107.42 1n3b n GLY 177 Ca -0.01 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 1n3b n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n3b s ALA 178 N -3.19 2.79 0.25 4.61 0.00 -1.26 -4.96 121.76 120.00 1n3b s ALA 178 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 51.96 52.05 1n3b s ALA 178 Cb 0.00 -3.16 0.51 0.00 0.00 0.00 0.00 23.12 20.46 1n3b s ALA 178 CO 0.00 -1.00 1.74 -1.35 0.00 0.00 0.00 175.76 175.14 1n3b h PRO 179 N -0.37 0.48 0.00 0.00 0.11 -1.99 -1.50 132.00 128.74 1n3b h PRO 179 Ca -0.44 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1n3b h PRO 179 Cb 1.21 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1n3b h PRO 179 CO 0.58 0.32 -0.01 0.38 -0.21 0.00 0.00 178.00 179.06 1n3b h ASP 180 N 0.50 0.00 0.85 -2.05 2.03 -2.00 -2.81 116.42 112.93 1n3b h ASP 180 Ca 0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.74 1n3b h ASP 180 Cb 0.67 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.17 1n3b h ASP 180 CO -0.40 0.01 0.00 0.00 -1.03 0.00 0.00 179.24 177.82 1n3b n ALA 181 N -2.15 1.75 1.16 4.15 0.00 -0.56 -2.82 120.51 122.04 1n3b n ALA 181 Ca -0.03 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.62 1n3b n ALA 181 Cb 0.10 -1.40 0.41 0.00 0.00 0.00 0.00 19.45 18.56 1n3b n ALA 181 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1n3b n ILE 182 N -2.26 0.00 -0.20 0.00 -5.35 -1.06 -4.43 119.36 106.06 1n3b n ILE 182 Ca 0.03 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1n3b n ILE 182 Cb 0.26 0.12 0.09 0.00 -1.74 0.00 0.00 39.64 38.37 1n3b n ILE 182 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1n3b h ALA 183 N 3.32 0.53 -0.30 -1.28 0.00 -1.72 -0.28 119.26 119.53 1n3b h ALA 183 Ca 0.00 0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1n3b h ALA 183 Cb 0.47 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1n3b h ALA 183 CO 0.00 -0.41 0.13 1.03 0.00 0.00 0.00 179.25 180.00 1n3b h SER 184 N 0.07 0.18 -0.47 0.00 0.87 -1.84 -1.39 113.55 110.97 1n3b h SER 184 Ca 0.31 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.80 1n3b h SER 184 Cb 0.50 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 1n3b h SER 184 CO -0.56 0.14 -0.08 0.44 -0.53 0.00 0.00 176.83 176.24 1n3b h ASP 185 N 0.28 0.88 -0.97 6.23 3.32 -1.63 -2.43 116.42 122.11 1n3b h ASP 185 Ca 0.13 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1n3b h ASP 185 Cb 0.07 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.33 1n3b h ASP 185 CO -0.11 1.02 0.61 0.58 -1.72 0.00 0.00 179.24 179.62 1n3b h VAL 186 N 0.73 1.26 -0.55 -1.35 2.07 -0.85 0.55 116.25 118.10 1n3b h VAL 186 Ca 0.12 -0.51 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 1n3b h VAL 186 Cb 0.61 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1n3b h VAL 186 CO 0.04 0.26 -0.03 0.00 0.02 0.00 0.00 177.57 177.85 1n3b h ALA 187 N 1.34 0.74 -0.36 1.67 0.00 -1.09 1.00 119.26 122.56 1n3b h ALA 187 Ca 0.35 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1n3b h ALA 187 Cb -0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1n3b h ALA 187 CO -0.07 0.59 -0.02 0.00 0.00 0.00 0.00 179.25 179.75 1n3b h ARG 188 N 0.87 0.64 -0.24 0.00 3.08 -1.12 -2.59 114.38 115.03 1n3b h ARG 188 Ca 0.15 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1n3b h ARG 188 Cb 0.58 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1n3b h ARG 188 CO 0.03 0.77 0.01 -0.07 -1.07 0.00 0.00 179.97 179.65 1n3b h LEU 189 N 0.45 0.40 -0.74 3.04 3.38 -0.71 -1.92 115.31 119.22 1n3b h LEU 189 Ca 0.10 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1n3b h LEU 189 Cb 0.49 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1n3b h LEU 189 CO 0.02 0.60 0.46 -0.74 0.09 0.00 0.00 178.44 178.87 1n3b h HIS 190 N 0.19 0.87 -0.65 1.13 2.76 -0.81 0.22 115.15 118.86 1n3b h HIS 190 Ca 0.07 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.18 1n3b h HIS 190 Cb 0.38 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.03 1n3b h HIS 190 CO 0.03 0.50 0.10 0.00 -1.30 0.00 0.00 177.93 177.26 1n3b h ALA 191 N 1.31 0.87 -0.41 5.26 0.00 -1.40 -0.57 119.26 124.33 1n3b h ALA 191 Ca 0.30 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1n3b h ALA 191 Cb 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1n3b h ALA 191 CO -0.11 0.63 0.07 1.25 0.00 0.00 0.00 179.25 181.09 1n3b h HIS 192 N 1.00 0.71 -0.64 0.00 6.17 -0.63 -2.32 115.15 119.45 1n3b h HIS 192 Ca 0.20 -0.10 -0.06 0.00 0.71 0.00 0.00 60.37 61.12 1n3b h HIS 192 Cb 0.44 -0.20 -0.03 0.00 2.52 0.00 0.00 27.41 30.15 1n3b h HIS 192 CO 0.03 0.70 0.18 1.88 0.71 0.00 0.00 177.93 181.43 1n3b h TYR 193 N 0.53 1.02 -0.80 5.26 0.05 -0.37 0.17 116.97 122.83 1n3b h TYR 193 Ca 0.12 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1n3b h TYR 193 Cb 0.36 -0.30 -0.04 0.00 1.01 0.00 0.00 36.73 37.77 1n3b h TYR 193 CO 0.02 0.83 0.47 -0.07 -1.05 0.00 0.00 178.16 178.36 1n3b h LEU 194 N 0.95 0.97 -0.33 3.88 3.38 -0.99 0.19 115.31 123.37 1n3b h LEU 194 Ca 0.21 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1n3b h LEU 194 Cb 0.30 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1n3b h LEU 194 CO -0.00 0.76 -0.05 -0.61 0.09 0.00 0.00 178.44 178.62 1n3b h GLN 195 N 1.10 0.62 -0.53 1.13 4.15 -0.85 -1.38 115.11 119.34 1n3b h GLN 195 Ca 0.28 -0.22 -0.04 0.00 0.77 0.00 0.00 58.65 59.44 1n3b h GLN 195 Cb -0.02 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 1n3b h GLN 195 CO -0.05 0.78 0.16 -0.07 -1.93 0.00 0.00 178.83 177.72 1n3b h LEU 196 N 0.40 0.78 -1.18 -2.39 3.38 -0.67 -2.41 115.31 113.23 1n3b h LEU 196 Ca 0.09 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1n3b h LEU 196 Cb 0.54 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1n3b h LEU 196 CO 0.03 0.78 0.18 0.00 0.09 0.00 0.00 178.44 179.52 1n3b h ALA 197 N 1.03 1.35 0.00 1.53 0.00 -0.51 0.65 119.26 123.30 1n3b h ALA 197 Ca 0.17 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1n3b h ALA 197 Cb 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1n3b h ALA 197 CO -0.00 0.48 -0.27 0.66 0.00 0.00 0.00 179.25 180.12 1n3b h SER 198 N 0.75 0.00 0.00 0.00 4.64 -0.93 -3.36 113.55 114.65 1n3b h SER 198 Ca 0.18 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.36 1n3b h SER 198 Cb 0.19 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 1n3b h SER 198 CO -0.01 0.27 -1.79 0.00 -0.87 0.00 0.00 176.83 174.43 1n3b n GLN 199 N -3.31 1.26 -0.33 4.77 6.02 -0.93 -4.77 117.38 120.09 1n3b n GLN 199 Ca 0.01 -0.06 0.15 0.00 -0.01 0.00 0.00 57.00 57.09 1n3b n GLN 199 Cb 0.52 -1.33 0.34 0.00 1.02 0.00 0.00 30.24 30.78 1n3b n GLN 199 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1n3b h PHE 200 N 0.00 0.93 -0.55 1.08 -5.15 -1.02 0.20 116.94 112.43 1n3b h PHE 200 Ca -0.20 0.04 -0.04 0.00 -0.20 0.00 0.00 57.97 57.56 1n3b h PHE 200 Cb 1.31 -0.26 -0.03 0.00 0.22 0.00 0.00 35.95 37.20 1n3b h PHE 200 CO 0.00 0.09 0.16 0.28 -2.00 0.00 0.00 178.31 176.84 1n3b h VAL 201 N 0.59 1.22 0.00 0.88 2.07 -1.85 -3.18 116.25 115.97 1n3b h VAL 201 Ca 0.60 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1n3b h VAL 201 Cb 1.07 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1n3b h VAL 201 CO -0.46 0.29 -1.22 -0.24 0.02 0.00 0.00 177.57 175.96 1n3b n SER 202 N -4.29 0.79 -4.65 0.57 2.88 -0.88 -4.98 113.62 103.06 1n3b n SER 202 Ca 0.04 -0.60 -0.58 0.00 -1.33 0.00 0.00 58.87 56.39 1n3b n SER 202 Cb 0.20 1.31 -0.08 0.00 -0.75 0.00 0.00 64.21 64.89 1n3b n SER 202 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1n3b n GLN 203 N -1.69 0.89 0.00 -1.46 -0.06 0.66 -5.15 117.38 110.57 1n3b n GLN 203 Ca 0.01 0.31 0.13 0.00 -2.00 0.00 0.00 57.00 55.45 1n3b n GLN 203 Cb 0.36 -2.02 0.76 0.00 -4.06 0.00 0.00 30.24 25.28 1n3b n GLN 203 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95